SCHEMBL7108880

SCHEMBL7108880

CC(C)(CCl)c1ccc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
P4HA1 P13674 2/20 0.47
P4HTM Q9NXG6 2/20 0.47
MAPT P10636 1/20 0.46
MIF P14174 1/20 0.46
HCAR3 P49019 11/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1070876 0.80 P4HA1 (0.55) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL14822487 0.79 P4HA1 (0.53) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL30908504 0.78 L3MBTL1 (0.46) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL25804618 0.77 P4HA1 (0.52) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL15718539 0.77 P4HA1 (0.52) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL30521254 0.77 P4HA1 (0.52) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL600427 0.77 P4HA1 (0.52) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL9960385 0.75 HCAR3 (0.49) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL25890668 0.75 ALDH1A1 (0.49) NAPRTP4HA1P4HTMMAPTMIF
SCHEMBL28970323 0.74 P4HA1 (0.57) NAPRTP4HA1P4HTMMAPTMIF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed